BDBM50276437 (2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-ylmethoxy)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-ol::CHEMBL457035

SMILES: CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC

InChI Key: InChIKey=GUJAUKQZCIPIBV-NQHRYMMQSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50276437   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50276437 ((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...) Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC |r| Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50276437 ((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...) Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC |r| Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50276437 ((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...) Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC |r| Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human glucocorticoid receptor				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50276437 ((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...) Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC |r| Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				J Med Chem 52: 1731-43 (2009) Article DOI: 10.1021/jm801512v BindingDB Entry DOI: 10.7270/Q23778M0
					More data for this Ligand-Target Pair